2-(4-methyl-1H-benzimidazol-2-yl)propanenitrile

C11H11N3 — CID 83857763

IUPAC2-(4-methyl-1H-benzimidazol-2-yl)propanenitrile
SMILESCc1cccc2[nH]c(C(C)C#N)nc12
InChIInChI=1S/C11H11N3/c1-7-4-3-5-9-10(7)14-11(13-9)8(2)6-12/h3-5,8H,1-2H3,(H,13,14)
InChIKeyLFKMDHLCSJMZLH-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.50
Rot. Bonds1

About 2-(4-methyl-1H-benzimidazol-2-yl)propanenitrile

2-(4-methyl-1H-benzimidazol-2-yl)propanenitrile (PubChem CID 83857763) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(4-methyl-1H-benzimidazol-2-yl)propanenitrile.

Molecular Properties

Compound Name2-(4-methyl-1H-benzimidazol-2-yl)propanenitrile
PubChem CID83857763
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name2-(4-methyl-1H-benzimidazol-2-yl)propanenitrile
SMILESCc1cccc2[nH]c(C(C)C#N)nc12
InChIInChI=1S/C11H11N3/c1-7-4-3-5-9-10(7)14-11(13-9)8(2)6-12/h3-5,8H,1-2H3,(H,13,14)
InChIKeyLFKMDHLCSJMZLH-UHFFFAOYSA-N
XLogP2.50
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1H-benzimidazol-2-yl)propanenitrile?
The IUPAC name of 2-(4-methyl-1H-benzimidazol-2-yl)propanenitrile (CID 83857763) is 2-(4-methyl-1H-benzimidazol-2-yl)propanenitrile.
What is the SMILES notation for 2-(4-methyl-1H-benzimidazol-2-yl)propanenitrile?
The canonical SMILES for 2-(4-methyl-1H-benzimidazol-2-yl)propanenitrile is Cc1cccc2[nH]c(C(C)C#N)nc12.
What is the InChIKey of 2-(4-methyl-1H-benzimidazol-2-yl)propanenitrile?
The InChIKey is LFKMDHLCSJMZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-7-4-3-5-9-10(7)14-11(13-9)8(2)6-12/h3-5,8H,1-2H3,(H,13,14).
What are the key properties of 2-(4-methyl-1H-benzimidazol-2-yl)propanenitrile?
2-(4-methyl-1H-benzimidazol-2-yl)propanenitrile has a molecular weight of 185.23 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1H-benzimidazol-2-yl)propanenitrile is sourced from PubChem (CID 83857763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).